SCHEMBL2558630

SCHEMBL2558630

CC(=O)c1cccc(-c2cc(N)cc(C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
DHODH Q02127 5/20 0.51
HDAC2 Q92769 1/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
DHFR P00374 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
FYN P06241 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20612659 0.90 KMO (0.63) KMODHODHRXRARXRBLMNA
SCHEMBL31489168 0.86 DHODH (0.57) KMODHODHRXRARXRBLMNA
SCHEMBL3793183 0.85 MAOA (0.48) HDAC2DHFRLMNAFYN
SCHEMBL3786043 0.84 FYN (0.57) HDAC2DHFRLMNAFYN
SCHEMBL3015814 0.84 KMO (0.70) KMOHDAC2RXRARXRBLMNA
SCHEMBL29951818 0.84 KMO (0.70) KMOHDAC2RXRARXRBLMNA
SCHEMBL13525285 0.84 DHODH (0.70) KMODHODHHDAC2RXRARXRB
SCHEMBL2557572 0.83 MAPT (0.53) DHODHHDAC2RXRARXRB
SCHEMBL3787106 0.83 MAPT (0.57) KMODHODHHDAC2RXRARXRB
SCHEMBL2726729 0.83 DHODH (0.65) KMODHODHRXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed